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Electrostatics

Molecular evolutionary patterns of NAD⁺/Sirtuin aging signaling pathway across taxa

Uma Gaur, Jianbo Tu, [ ... ], Mingyao Yang

Changes in lipid membranes may trigger amyloid toxicity in Alzheimer's disease

Elizabeth Drolle, Alexander Negoda, [ ... ], Zoya Leonenko

Assisted Design of Antibody and Protein Therapeutics (ADAPT)

Victor Vivcharuk, Jason Baardsnes, [ ... ], Enrico O. Purisima

Synthesis, fungicidal evaluation and 3D-QSAR studies of novel 1,3,4-thiadiazole xylofuranose derivatives

Guanghui Zong, Xiaojing Yan, [ ... ], Jianjun Zhang

An accurate coarse-grained model for chitosan polysaccharides in aqueous solution

Levan Tsereteli, Andrea Grafmüller

Linking epigenetic function to electrostatics: The DNMT2 structural model example

Gilberto Cavalheiro Vieira, Gustavo Fioravanti Vieira, Marialva Sinigaglia, Vera Lúcia da Silva Valente

Electrostatic forces govern the binding mechanism of intrinsically disordered histone chaperones

Chuanbo Liu, Tianshu Wang, Yawen Bai, Jin Wang

A prion-like mechanism for the propagated misfolding of SOD1 from in silico modeling of solvated near-native conformers

Eamonn F. Healy

Solid state characterization and theoretical study of non-linear optical properties of a Fluoro-N-Acylhydrazide derivative

Rosemberg F. N. Rodrigues, Leonardo R. Almeida, [ ... ], Basílio Baseia

Variations in the interaction of human defensins with Escherichia coli: Possible implications in bacterial killing

Basil Mathew, Ramakrishnan Nagaraj

Structure based comprehensive modelling, spatial fingerprints mapping and ADME screening of curcumin analogues as novel ALR2 inhibitors

Sant Kumar Verma, Suresh Thareja

Synthesis, characterization, and debromination reactivity of cellulose-stabilized Pd/Fe nanoparticles for 2,2',4,4'-tretrabromodiphenyl ether

Guofu Huang, Mianmian Wang, [ ... ], Changfang Li

Sampling and detection of airborne influenza virus towards point-of-care applications

Laila Ladhani, Gaspard Pardon, [ ... ], Wouter van der Wijngaart

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